Chemical ID: 4668226

Cc1cccc2c1nn[nH]2
Chemical ID:
4668226
Name [?]:
4-methyl-1H-benzotriazole
SMILES [?]:
Cc1cccc2c1nn[nH]2
InChi [?]:
InChI=1/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,2,6,7,10,8,9/rA:10nCCCCCCCNNN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7N3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.54855
Area:277.286
Solvation:-1.3836
Coulombic:-9.65281
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:133.151
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.36
LogP (Chemaxon):2.0

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Experimental Annotations

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Descriptor Annotations

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